3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide

C17H20N2O6S — CID 8515948

IUPAC3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C17H20N2O6S/c1-11-5-6-15(25-4)16(7-11)26(21,22)19-18-17(20)12-8-13(23-2)10-14(9-12)24-3/h5-10,19H,1-4H3,(H,18,20)
InChIKeyHHDZNWKSNYCCBI-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.64
Rot. Bonds7

About 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide

3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide (PubChem CID 8515948) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
PubChem CID8515948
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C17H20N2O6S/c1-11-5-6-15(25-4)16(7-11)26(21,22)19-18-17(20)12-8-13(23-2)10-14(9-12)24-3/h5-10,19H,1-4H3,(H,18,20)
InChIKeyHHDZNWKSNYCCBI-UHFFFAOYSA-N
XLogP1.64
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515553
N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide
CID 8823128
4-bromo-N'-(2-methoxy-5-methylphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823856
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
CID 8615856
N'-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylphenoxy)acetohydrazide
CID 8515456
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide
CID 155511214
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515821

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide (CID 8515948) is 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide is COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide?
The InChIKey is HHDZNWKSNYCCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-11-5-6-15(25-4)16(7-11)26(21,22)19-18-17(20)12-8-13(23-2)10-14(9-12)24-3/h5-10,19H,1-4H3,(H,18,20).
What are the key properties of 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide?
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide has a molecular weight of 380.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8515948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).